3-amino-N-tert-butyl-5-methyl-1H-pyrazole-4-carboxamide

C9H16N4O — CID 43159377

IUPAC3-amino-N-tert-butyl-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)NC(C)(C)C
InChIInChI=1S/C9H16N4O/c1-5-6(7(10)13-12-5)8(14)11-9(2,3)4/h1-4H3,(H,11,14)(H3,10,12,13)
InChIKeyWVGYIJAOFNYTKW-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.83
Rot. Bonds1

About 3-amino-N-tert-butyl-5-methyl-1H-pyrazole-4-carboxamide

3-amino-N-tert-butyl-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 43159377) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-amino-N-tert-butyl-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-tert-butyl-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID43159377
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-amino-N-tert-butyl-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)NC(C)(C)C
InChIInChI=1S/C9H16N4O/c1-5-6(7(10)13-12-5)8(14)11-9(2,3)4/h1-4H3,(H,11,14)(H3,10,12,13)
InChIKeyWVGYIJAOFNYTKW-UHFFFAOYSA-N
XLogP0.83
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-tert-butyl-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-tert-butyl-5-methyl-1H-pyrazole-4-carboxamide (CID 43159377) is 3-amino-N-tert-butyl-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-tert-butyl-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-tert-butyl-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]nc(N)c1C(=O)NC(C)(C)C.
What is the InChIKey of 3-amino-N-tert-butyl-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is WVGYIJAOFNYTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-5-6(7(10)13-12-5)8(14)11-9(2,3)4/h1-4H3,(H,11,14)(H3,10,12,13).
What are the key properties of 3-amino-N-tert-butyl-5-methyl-1H-pyrazole-4-carboxamide?
3-amino-N-tert-butyl-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.83, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-tert-butyl-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43159377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).